N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine

C17H16N2OS — CID 8961681

IUPACN-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-18-17-19-15(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLBNIENPKDJVVMG-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.43
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine

N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 8961681) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID8961681
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-18-17-19-15(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLBNIENPKDJVVMG-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 8961681) is N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is COc1ccccc1CNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LBNIENPKDJVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)11-18-17-19-15(12-21-17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).